Geometry & MOs

Info

ID:	446040
PubChem CID:	135271926
Reduced:	SN6O6C26H42 (1)
Stoich.:	AB6C6D26E42 (1)
Weight, g/mol:	452.209341
ΔH_f, kcal/mol:	-302.14
Dipole, Da:	2.32
IP(EA), eV:	-8.91(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[2-[(2-acetamido-3-methylbutanoyl)amino]acetyl]amino]phenyl]methyl N-(2-methyl-2-sulfanylpropyl)carbamate

Drug info:

PubChemData

Smile

C[C@H](C(C)(C)S)NC(=O)OCC1=CC=C(C=C1)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)C

DOS

IR

Vibrations