Geometry & MOs

Info

ID:	217556
PubChem CID:	85087997
Reduced:	FO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	375.215806
ΔH_f, kcal/mol:	-69.67
Dipole, Da:	5.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.073095
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[2-[[1-(but-3-en-2-ylamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC1=C2C(C=C(C1=[N+]3CC(CC(C3)(C)C)N)F)C(=O)N(C(=O)N2C4CC4)N

DOS

IR

Vibrations