Geometry & MOs

Info

ID:	442293
PubChem CID:	135251064
Reduced:	NSCl2O5H25C27 (1)
Stoich.:	ABC2D5E25F27 (1)
Weight, g/mol:	364.195799
ΔH_f, kcal/mol:	-159.12
Dipole, Da:	6.13
IP(EA), eV:	-8.39(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino] N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H](OC3=C2C=C(C=C3)/C=C(\C)/C4=C(C=CC=C4Cl)Cl)CCC(=O)O

DOS

IR

Vibrations