Geometry & MOs

Info

ID:	169500
PubChem CID:	75112125
Reduced:	N5O5C30H41 (1)
Stoich.:	A5B5C30D41 (1)
Weight, g/mol:	581.230805
ΔH_f, kcal/mol:	-200.48
Dipole, Da:	4.97
IP(EA), eV:	-8.61(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[1-(benzenesulfonyl)-4-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3CN(CCN3C(=O)C4CCCCC4)C(=O)C5CCNCC5

DOS

IR

Vibrations