Geometry & MOs

Info

ID:	157872
PubChem CID:	56437657
Reduced:	ClFSN4O4H18C19 (1)
Stoich.:	ABCD4E4F18G19 (1)
Weight, g/mol:	422.241687
ΔH_f, kcal/mol:	-110.74
Dipole, Da:	4.16
IP(EA), eV:	-8.95(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations