Geometry & MOs

Info

ID:	161346
PubChem CID:	57391401
Reduced:	ClSN4O4C27H29 (1)
Stoich.:	ABC4D4E27F29 (1)
Weight, g/mol:	390.122714
ΔH_f, kcal/mol:	-84.98
Dipole, Da:	4.7
IP(EA), eV:	-8.85(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OC[C@@H](CN5CCCC5)O)C(=O)N

DOS

IR

Vibrations