Geometry & MOs
Info
ID: |
438648 |
PubChem CID: |
135228394 |
Reduced: |
NO2C31H55 (1) |
Stoich.: |
AB2C31D55 (1) |
Weight, g/mol: |
1276.768263 |
ΔHf, kcal/mol: |
-181.36 |
Dipole, Da: |
3.06 |
IP(EA), eV: |
-8.17(0.41) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
prop-2-enyl (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[[4-[[5-(carbamoylamino)-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate