Geometry & MOs

Info

ID:	46240
PubChem CID:	10523463
Reduced:	SN2O2C7H11 (2)
Stoich.:	AB2C2D7E11 (2)
Weight, g/mol:	374.187543
ΔH_f, kcal/mol:	-181.36
Dipole, Da:	9.19
IP(EA), eV:	-8.77(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3R)-3-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]pent-4-enoate

Drug info:

PubChemData

Smile

CC(=O)NCCSC1=C(N(C(=O)N(C1=O)C)C)SCCNC(=O)C

DOS

IR

Vibrations