Geometry & MOs

Info

ID:

415487

PubChem CID:

135088483

Reduced:

SO6N10C37H48 (1)

Stoich.:

AB6C10D37E48 (1)

Weight, g/mol:

348.179755

ΔHf, kcal/mol:

-167.88

Dipole, Da:

9.6

IP(EA), eV:

 -8.18(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(5-methyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-1-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)CCN5C=CC=N5)C

DOS

IR

Vibrations