Geometry & MOs

Info

ID:	39203
PubChem CID:	8139909
Reduced:	S2N3O3C20H27 (1)
Stoich.:	A2B3C3D20E27 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-78.1
Dipole, Da:	2.56
IP(EA), eV:	-8.9(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[2-[(dimethylamino)methyl]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations