Geometry & MOs

Info

ID:	350222
PubChem CID:	127277300
Reduced:	SO2N5C17H29 (1)
Stoich.:	AB2C5D17E29 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-66.38
Dipole, Da:	4.41
IP(EA), eV:	-8.57(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropanoyl)-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(C)NC(=O)NCC2(CCSC2)N3CCOCC3)C

DOS

IR

Vibrations