Geometry & MOs

Info

ID:	316134
PubChem CID:	126630179
Reduced:	N4O5C23H32 (1)
Stoich.:	A4B5C23D32 (1)
Weight, g/mol:	383.253255
ΔH_f, kcal/mol:	-193.09
Dipole, Da:	4.29
IP(EA), eV:	-9.22(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N,N-dimethyl-1-[(2S)-2-[[(2S)-3-methyl-2-(propanoylamino)butanoyl]amino]propanoyl]diazinane-3-carboxamide

Drug info:

PubChemData

Smile

C/C=C/CC(=O)NC(CCC1=CC=CC=C1)C(=O)NC(C)C(=O)N2CCCC(N2)C(=O)O

DOS

IR

Vibrations